C463-0344 Screening compound: N-[3-(1-azepanyl)propyl]-2-[(7-chloro-1-methyl-2-oxo-1,2-dihydro-4-quinolinyl)sulfanyl]acetamide

C463-0344 Screening compound: N-[3-(1-azepanyl)propyl]-2-[(7-chloro-1-methyl-2-oxo-1,2-dihydro-4-quinolinyl)sulfanyl]acetamide
C463-0344 Screening compound: N-[3-(1-azepanyl)propyl]-2-[(7-chloro-1-methyl-2-oxo-1,2-dihydro-4-quinolinyl)sulfanyl]acetamide alternative view

Chemical Structure Depiction of ChemDiv screening compound C463-0344
N-[3-(1-azepanyl)propyl]-2-[(7-chloro-1-methyl-2-oxo-1,2-dihydro-4-quinolinyl)sulfanyl]acetamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C463-0344

Molecular Formula

C21H28ClN3O2S (C21 H28 ClN3 O2 S)

Compound Name

N-[3-(1-azepanyl)propyl]-2-[(7-chloro-1-methyl-2-oxo-1,2-dihydro-4-quinolinyl)sulfanyl]acetamide

IUPAC name

N-[3-(azepan-1-yl)propyl]-2-[(7-chloro-1-methyl-2-oxo-12-dihydroquinolin-4-yl)sulfanyl]acetamide

SMILES

CN(c(cc(cc1)Cl)c1C(SCC(NCCCN1CCCCCC1)=O)=C1)C1=O

InChI

InChI=1S/C21H28ClN3O2S/c1-24-18-13-16(22)7-8-17(18)19(14-21(24)27)28-15-20(26)23-9-6-12-25-10-4-2-3-5-11-25/h7-8,13-14H,2-6,9-12,15H2,1H3,(H,23,26)

InChI Key

LLDXVCFJFOJALW-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14760098

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

421.99

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

1.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

5

Partition Coefficient, logP

2.895

Distribution Coefficient, logD

0.267

Water Solubility, LogSw

-3.60

Polar Surface Area

44.011

Acid Dissociation Constant (pKa)

15.91

Base Dissociation Constant (pKb)

10.03

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

52.38

C463-0344 in Drug Discovery

Included in Screening Libraries

3D-Diversity Natural-Product-Like Library (18102 compounds)

GPCR Targeted Library (31838 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Musculoskeletal
  • Respiratory tract
  • Nervous system
  • Congenital
  • Skin
  • Metabolic
  • Endocrine
Targets:
  • GPCR
Mechanism of action:
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C463-0344 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C463-0344?
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What is the minimum amount of C463-0344 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C463-0344
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C463-0344
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C463-0344 available by request